1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene

C18H26O2 — CID 163402503

IUPAC1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene
SMILESC/C=C(\C)c1cccc(/C(C)=C/OCCOCCC)c1
InChIInChI=1S/C18H26O2/c1-5-10-19-11-12-20-14-16(4)18-9-7-8-17(13-18)15(3)6-2/h6-9,13-14H,5,10-12H2,1-4H3/b15-6+,16-14+
InChIKeyBYGSJTFJZUBMMN-DEFAVMNDSA-N
MW274.40 g/mol
LogP4.91
Rot. Bonds8

About 1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene

1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene (PubChem CID 163402503) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene
PubChem CID163402503
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene
SMILESC/C=C(\C)c1cccc(/C(C)=C/OCCOCCC)c1
InChIInChI=1S/C18H26O2/c1-5-10-19-11-12-20-14-16(4)18-9-7-8-17(13-18)15(3)6-2/h6-9,13-14H,5,10-12H2,1-4H3/b15-6+,16-14+
InChIKeyBYGSJTFJZUBMMN-DEFAVMNDSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-but-2-en-2-yl]-3-[(E)-1-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-yl]benzene;ethane
CID 156647431
1,3-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene;1,3-bis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]prop-1-en-2-yl]benzene;1,3-bis[1-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 160906982
1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 163241352
1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene
CID 163402470
1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 156647396
1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 158088780
1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-methylpropoxy)prop-1-en-2-yl]benzene;methanethiol
CID 163241299
1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene
CID 163241353
1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene
CID 155674731
1,3-bis[(E)-but-2-en-2-yl]benzene;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 163241318
2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal
CID 158022987
2-methyl-2-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiirane
CID 176604237

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene (CID 163402503) is 1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene is C/C=C(\C)c1cccc(/C(C)=C/OCCOCCC)c1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene?
The InChIKey is BYGSJTFJZUBMMN-DEFAVMNDSA-N. The full InChI is InChI=1S/C18H26O2/c1-5-10-19-11-12-20-14-16(4)18-9-7-8-17(13-18)15(3)6-2/h6-9,13-14H,5,10-12H2,1-4H3/b15-6+,16-14+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene?
1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene has a molecular weight of 274.40 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene is sourced from PubChem (CID 163402503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).